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Damascone

Names

[ CAS No. ]:
23726-91-2

[ Name ]:
Damascone

[Synonym ]:
(2E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one
(E)-b-Damascone
4-(2.6.6-Trimethyl cyclohex-1-enyl)-but-2-en-4-one
Damascone
(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-on
(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
(2E)-1-(2,6,6-Triméthyl-1-cyclohexén-1-yl)-2-butén-1-one
trans-2,6,6-Trimethyl-1-crotonylcyclohex-1-ene
trans-b-Damascone
2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
b-Damascone
β-Damascone

Biological Activity

[Description]:

β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2].

[Related Catalog]:

Research Areas >> Others
Signaling Pathways >> Others >> Others

[In Vitro]

CYP101C1 is capable of binding and hydroxylating ionone derivatives including α- and β-ionone and β-damascone[3]. Several of the key flavor compounds in rose essential oil are C13-norisoprenoids, such asβ-damascenone, β-Damascone, and β-ionone which are derived from carotenoid degradation[4].

[References]

[1]. Mahattanatawee K, et al. Comparison of aroma active and sulfur volatiles in three fragrant rice cultivars using GC-olfactometry and GC-PFPD. Food Chem. 2014;154:1-6.

[2]. Gabryś B, et al. Systemic deterrence of aphid probing and feeding by novel β-damascone analogues. J Pest Sci (2004). 2015;88(3):507-516.

[3]. Ma M, et al. Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444. Chembiochem. 2011;12(1):88-99.

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
271.2±10.0 °C at 760 mmHg

[ Molecular Formula ]:
C13H20O

[ Molecular Weight ]:
192.297

[ Flash Point ]:
108.0±14.0 °C

[ Exact Mass ]:
192.151413

[ PSA ]:
17.07000

[ LogP ]:
4.40

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.476

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EN0340000
CHEMICAL NAME :
2-Buten-1-one, 1-(2,6,6-trimethylcyclohex-1-enyl)-, (E)-
CAS REGISTRY NUMBER :
23726-91-2
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H20-O
MOLECULAR WEIGHT :
192.33
WISWESSER LINE NOTATION :
L6UTJ A1 BV1U2 C1 C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2920 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,487,1975

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H317

[ Precautionary Statements ]:
P280

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R43

[ Safety Phrases ]:
36/37

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
EN0340000

[ HS Code ]:
29142990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds